GdCl_3·(DME)·2THF的晶体结构

Crystal stucture of GdCl3 ?(DME) ?2THF

用Nicolet R 3M/E四圆衍射仪,测得了GdCl_3(DME)·2THF的晶体结构(DME=Dimethoxyethane)。晶体属于单斜晶系,空间点群是P2_1/a,Z=4。晶格参数a=13.507(4),b=8.553(2),c=15.951(4)(?),β=90.65(2)°。 晶体结构应用Patterson和Fourier技术,并经块矩阵最小二乘法解出最后的一致性因子R=0.049。钆离子同三个氯原子,两个四氢呋喃中的氧原子及(DME)中的两个氧原子键合,形成七配位的配合物。Gd—Cl和Gd—O的距离分别在2.626～2.650(?)和2.443～2.482(?)范围内。

The caystal structure of the compound GdCl3 ?(DME) ?2THF was determined using X-ray crystallography.The complex crystallizes in the mono-clinic space group P21/a -with Z=4. Lattice parameters are: a =13.507(4), b= 8.553(2), c = 15.951(4) A, B= 90.65(2),The crystal structure was solved by Patterson and Fourier techniques and refined by Least-squares to a final value of R = 0.049. The gadolinium ion is 7-coordinate,being bonded to three chlorine atoms,two oxygen atoms of two THF and two oxygen, atoms of DME.The Gd-Cl and Gd-0 distances range from 2.626 to 2.650 A and 2.443 to 2.482A,respectively. DME= Dimethoxyethane